Cas no 232602-79-8 (5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid)
5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid Chemical and Physical Properties
Names and Identifiers
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- Pentanoic acid,5-bromo-4-chloro-4,5,5-trifluoro-
- 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid
- Pentanoic acid, 5-bromo-4-chloro-4,5,5-trifluoro-
- 5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid, AldrichCPR
- SCHEMBL6322207
- FLKLWPCROADJHL-UHFFFAOYSA-N
- MFCD00153680
- CS-0333527
- FT-0644077
- 5-bromanyl-4-chloranyl-4,5,5-tris(fluoranyl)pentanoic acid
- DTXSID60371228
- 232602-79-8
- AKOS015833890
- A816649
- 5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid
-
- MDL: MFCD00153680
- Inchi: 1S/C5H5BrClF3O2/c6-5(9,10)4(7,8)2-1-3(11)12/h1-2H2,(H,11,12)
- InChI Key: FLKLWPCROADJHL-UHFFFAOYSA-N
- SMILES: BrC(C(CCC(=O)O)(F)Cl)(F)F
Computed Properties
- Exact Mass: 267.91100
- Monoisotopic Mass: 267.91135g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 2.74350
5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid Security Information
- Hazard Statement: Irritant
- Hazard Category Code: 36/37/38-36
- Safety Instruction: S26; S36
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Hazardous Material Identification:
- HazardClass:IRRITANT, CORROSIVE
- Risk Phrases:R36/37/38
5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid Customs Data
- HS CODE:2915900090
- Customs Data:
China Customs Code:
2915900090Overview:
2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%
5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B695155-50mg |
5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid |
232602-79-8 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B695155-100mg |
5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid |
232602-79-8 | 100mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B695155-500mg |
5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid |
232602-79-8 | 500mg |
$ 210.00 | 2022-06-06 | ||
| Apollo Scientific | PC1374KE-250mg |
5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid |
232602-79-8 | 97% | 250mg |
£20.00 | 2024-05-24 |
5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
Additional information on 5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid
Introduction to 5-Bromo-4-chloro-4,5,5-trifluoropentanoic Acid (CAS No. 232602-79-8)
5-Bromo-4-chloro-4,5,5-trifluoropentanoic acid is a fluorinated carboxylic acid derivative with a unique structural framework that has garnered significant attention in the field of medicinal chemistry and synthetic organic chemistry. This compound, identified by its CAS number 232602-79-8, features a trifluoromethyl group at the C4 position, alongside bromo and chloro substituents at the C2 and C3 positions, respectively. Such a molecular configuration imparts distinct electronic and steric properties, making it a valuable intermediate in the synthesis of biologically active molecules.
The presence of multiple halogen atoms enhances the reactivity of this compound, allowing for diverse functionalization strategies. These attributes have positioned 5-bromo-4-chloro-4,5,5-trifluoropentanoic acid as a key building block in the development of novel pharmaceuticals and agrochemicals. Recent advancements in fluorinated chemistry have highlighted its potential in modulating enzyme activity and improving metabolic stability in drug candidates.
In contemporary research, 5-bromo-4-chloro-4,5,5-trifluoropentanoic acid has been explored for its role in constructing complex molecular scaffolds. The trifluoromethyl group, a well-documented pharmacophore, contributes to lipophilicity and metabolic resistance, which are critical factors in drug design. Additionally, the bromo and chloro substituents provide handles for further chemical modifications via cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings. These reactions are pivotal in forming carbon-carbon bonds essential for creating intricate drug molecules.
Recent studies have demonstrated the utility of CAS no 232602-79-8 in the synthesis of kinase inhibitors. Kinases are enzymes involved in numerous cellular processes, making them attractive targets for therapeutic intervention. The structural features of this compound allow for precise tuning of binding interactions with kinase active sites. For instance, the electron-withdrawing nature of the trifluoromethyl group can enhance binding affinity by stabilizing negative charges on the enzyme's substrate binding pocket.
The pharmaceutical industry has also leveraged 5-bromo-4-chloro-4,5,5-trifluoropentanoic acid in the development of antiviral and anticancer agents. The halogenated framework facilitates the creation of molecules with enhanced bioavailability and target specificity. Moreover, computational modeling studies have indicated that this compound can exhibit favorable pharmacokinetic properties when incorporated into drug candidates.
Synthetic methodologies involving CAS no 232602-79-8 have been refined to achieve high yields and purity levels. Advanced techniques such as flow chemistry and microwave-assisted synthesis have enabled efficient production scales suitable for industrial applications. These innovations underscore the growing importance of fluorinated intermediates like this one in modern drug discovery pipelines.
Environmental considerations have also driven research into sustainable synthetic routes for 5-bromo-4-chloro-4,5,5-trifluoropentanoic acid. Green chemistry principles emphasize minimizing waste and hazardous reagents without compromising efficiency. Recent breakthroughs in catalytic systems have allowed for more sustainable production methods that align with these goals.
The versatility of CAS no 232602-79-8 extends beyond pharmaceutical applications to agrochemicals and materials science. In agriculture, fluorinated compounds are being explored for their potential as pesticides due to their stability and efficacy against resistant pests. Similarly, in materials science, this compound has been investigated for its properties as a monomer or additive in polymers that require enhanced thermal or chemical resistance.
Ongoing research continues to uncover new applications for 5-bromo-4-chloro-4,5,5-trifluoropentanoic acid across various disciplines. Collaborative efforts between academia and industry are fostering innovation by integrating cutting-edge synthetic techniques with biological assays to accelerate the discovery of novel therapeutics.
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